Detailed information for compound 161885

Basic information

Technical information
  • TDR Targets ID: 161885
  • Name: N-hydroxy-8-oxo-8-(4-piperidin-1-ylphenyl)oct anamide
  • MW: 332.437 | Formula: C19H28N2O3
  • H donors: 2 H acceptors: 3 LogP: 3.06 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCCCC1
  • InChi: 1S/C19H28N2O3/c22-18(8-4-1-2-5-9-19(23)20-24)16-10-12-17(13-11-16)21-14-6-3-7-15-21/h10-13,24H,1-9,14-15H2,(H,20,23)
  • InChiKey: UWIMTTJMTWCWDP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 8-oxo-8-[4-(1-piperidyl)phenyl]octanehydroxamic acid
  • 8-keto-8-(4-piperidinophenyl)octanehydroxamic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi histone deacetylase 1, putative 0.0099 0.1564 1
Loa Loa (eye worm) histone deacetylase 3 0.0099 0.1564 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0044 0.0159 0.0159
Echinococcus granulosus histone deacetylase 3 0.0099 0.1564 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0064 0.0676 0.432
Echinococcus granulosus histone deacetylase 6 0.0044 0.0159 0.1019
Plasmodium falciparum histone deacetylase, putative 0.0044 0.0159 0.1019
Giardia lamblia Histone deacetylase 0.0099 0.1564 1
Onchocerca volvulus 0.006 0.0581 1
Loa Loa (eye worm) histone deacetylase 11 0.0044 0.0159 0.1019
Echinococcus granulosus histone deacetylase 8 0.0044 0.0159 0.1019
Plasmodium falciparum plasmepsin VI 0.0064 0.0676 0.432
Schistosoma mansoni histone deacetylase 0.0099 0.1564 0.1564
Brugia malayi histone deacetylase 1 (HD1) 0.0099 0.1564 1
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0159 0.1019
Echinococcus multilocularis histone deacetylase 1 0.0099 0.1564 1
Echinococcus multilocularis histone deacetylase 0.0044 0.0159 0.1019
Brugia malayi histone deacetylase 3 (HD3) 0.0099 0.1564 1
Toxoplasma gondii histone deacetylase HDAC2 0.0099 0.1564 0.2227
Plasmodium vivax plasmepsin IV, putative 0.0064 0.0676 0.3675
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1564 1
Trypanosoma brucei histone deacetylase 2 0.0044 0.0159 0.1019
Brugia malayi Histone deacetylase 1 0.0099 0.1564 1
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0159 0.1019
Schistosoma mansoni histone deacetylase 4 5 0.0044 0.0159 0.0159
Toxoplasma gondii kringle domain-containing protein 0.006 0.0581 0.0668
Schistosoma mansoni histone deacetylase 0.0099 0.1564 0.1564
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Leishmania major histone deacetylase, putative 0.0044 0.0159 0.1019
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.3031 0.3031
Trypanosoma brucei histone deacetylase 4 0.0044 0.0159 0.1019
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1564 1
Leishmania major histone deacetylase, putative 0.0044 0.0159 0.1019
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0581 0.3712
Brugia malayi histone deacetylase 11 0.0044 0.0159 0.1019
Leishmania major hypothetical protein, conserved 0.006 0.0581 0.3712
Toxoplasma gondii histone deacetylase HDAC3 0.0099 0.1564 0.2227
Toxoplasma gondii aspartyl protease ASP1 0.0064 0.0676 0.0818
Plasmodium falciparum histone deacetylase 1 0.0099 0.1564 1
Echinococcus granulosus histone deacetylase 0.0044 0.0159 0.1019
Onchocerca volvulus Histone deacetylase 10 homolog 0.0044 0.0159 0.2745
Loa Loa (eye worm) hypothetical protein 0.0099 0.1564 1
Brugia malayi Histone deacetylase family protein 0.0044 0.0159 0.1019
Leishmania major histone deacetylase, putative 0.0099 0.1564 1
Loa Loa (eye worm) histone deacetylase 1 0.0099 0.1564 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0099 0.1564 1
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Loa Loa (eye worm) hypothetical protein 0.0064 0.0676 0.432
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0064 0.0676 0.432
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Plasmodium falciparum cysteine repeat modular protein 1 0.006 0.0581 0.3712
Loa Loa (eye worm) TK/ROR protein kinase 0.006 0.0581 0.3712
Loa Loa (eye worm) hypothetical protein 0.006 0.0581 0.3712
Echinococcus granulosus histone deacetylase 1 0.0099 0.1564 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.006 0.0581 0.2999
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.3031 0.3031
Echinococcus multilocularis histone deacetylase 7 0.0044 0.0159 0.1019
Echinococcus multilocularis histone deacetylase 3 0.0099 0.1564 1
Brugia malayi Histone deacetylase family protein 0.0044 0.0159 0.1019
Toxoplasma gondii PAN domain-containing protein 0.0291 0.6468 1
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0159 0.1019
Plasmodium vivax histone deacetylase 1, putative 0.0099 0.1564 1
Echinococcus multilocularis tissue type plasminogen activator 0.006 0.0581 0.3712
Echinococcus granulosus tissue type plasminogen activator 0.006 0.0581 0.3712
Plasmodium falciparum plasmepsin IV 0.0064 0.0676 0.432
Schistosoma mansoni hypothetical protein 0.006 0.0581 0.0581
Trypanosoma brucei histone deacetylase, putative 0.0044 0.0159 0.1019
Plasmodium falciparum histone deacetylase 2 0.0044 0.0159 0.1019
Brugia malayi Protein kinase domain containing protein 0.006 0.0581 0.3712
Toxoplasma gondii PAN domain-containing protein 0.0291 0.6468 1
Echinococcus multilocularis histone deacetylase 6 0.0044 0.0159 0.1019
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0064 0.0676 0.0818
Schistosoma mansoni histone deacetylase 4 5 0.0044 0.0159 0.0159
Entamoeba histolytica histone deacetylase, putative 0.0099 0.1564 1
Plasmodium falciparum plasmepsin II 0.0064 0.0676 0.432
Trypanosoma cruzi histone deacetylase 1, putative 0.0099 0.1564 1
Plasmodium falciparum plasmepsin I 0.0064 0.0676 0.432
Trypanosoma cruzi histone deacetylase, putative 0.0044 0.0159 0.1019
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0676 0.0676
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Trypanosoma brucei histone deacetylase 3 0.0044 0.0159 0.1019
Loa Loa (eye worm) histone deacetylase 7A 0.0044 0.0159 0.1019
Plasmodium vivax aspartyl proteinase, putative 0.0064 0.0676 0.3675
Brugia malayi Kringle domain containing protein 0.006 0.0581 0.3712
Schistosoma mansoni histone deacetylase hda2 0.0044 0.0159 0.0159
Loa Loa (eye worm) histone deacetylase 0.0044 0.0159 0.1019
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0064 0.0676 0.432
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Trypanosoma brucei histone deacetylase 1 0.0099 0.1564 1
Echinococcus granulosus histone deacetylase 6 0.0044 0.0159 0.1019
Leishmania major histone deacetylase, putative 0.0099 0.1564 1
Echinococcus granulosus histone deacetylase 6 0.0044 0.0159 0.1019
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0064 0.0676 0.432
Echinococcus granulosus histone deacetylase 7 0.0044 0.0159 0.1019
Trichomonas vaginalis histone deacetylase, putative 0.0099 0.1564 1
Schistosoma mansoni histone deacetylase hda2 0.0044 0.0159 0.0159
Echinococcus multilocularis histone deacetylase 8 0.0044 0.0159 0.1019

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.5 nM Inhibition against partially purified human histone deacetylase 1 (HDAC-1) ChEMBL. 12061890
IC50 (binding) = 9.5 nM Inhibition against partially purified human histone deacetylase 1 (HDAC-1) ChEMBL. 12061890
IC50 (binding) = 0.0095 uM Inhibition of human HDAC1 ChEMBL. 19136179

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.