Detailed information for compound 579801

Basic information

Technical information
  • TDR Targets ID: 579801
  • Name: (4R,5S)-4,5-diaminooctanedioic acid dihydroch loride
  • MW: 277.146 | Formula: C8H18Cl2N2O4
  • H donors: 4 H acceptors: 4 LogP: -4.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]([C@@H](CCC(=O)O)N)CCC(=O)O.Cl.Cl
  • InChi: 1S/C8H16N2O4.2ClH/c9-5(1-3-7(11)12)6(10)2-4-8(13)14;;/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14);2*1H/t5-,6+;;
  • InChiKey: BTRJVVLNWIJONL-RUTFAPCESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4R,5S)-4,5-bis(azanyl)octanedioic acid dihydrochloride
  • (4R,5S)-4,5-diaminosuberic acid dihydrochloride
  • 72955-63-6
  • meso-di-GABA
  • meso-gamma,gamma'-diaminosuberic acid
  • Octanedioic acid, 4,5-diamino-, dihydrochloride, (R*,S*)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0154 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0154 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0154 0.0177
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0154 0.0177
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0154 0.0154
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0154 0.0154
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0154 0.0167
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0154 0.0154
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0154 0.0167
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2178 0.2178
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.921 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0154 0.0177
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0154 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2178 0.2178
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0154 0.0177
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0154 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0154 0.0177
Schistosoma mansoni hypothetical protein 0.0123 0.921 0.921
Schistosoma mansoni hypothetical protein 0.0103 0.7652 0.7652
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0154 0.0177
Echinococcus multilocularis ferritin 0.0008 0.0027 0.0027
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0154 0.0177
Schistosoma mansoni apoferritin-2 0.0008 0.0027 0.0027
Brugia malayi ecdysteroid receptor 0.001 0.0154 0.0177
Schistosoma mansoni hypothetical protein 0.0035 0.2178 0.2178
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2178 0.2364
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0154 0.0154
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0154 0.0154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0154 0.0177
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0027 0.5
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0154 0.0177
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.8701 1
Echinococcus multilocularis expressed protein 0.0008 0.0027 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0154 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0154 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Echinococcus granulosus FTZ F1 alpha 0.001 0.0154 0.0167
Entamoeba histolytica hypothetical protein 0.0035 0.2178 0.5
Schistosoma mansoni thyroid hormone receptor 0.0133 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0154 0.0177
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0027 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0154 0.0154
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0154 0.0154
Brugia malayi MH2 domain containing protein 0.0117 0.8701 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0154 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.2178 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0154 0.0154
Onchocerca volvulus 0.001 0.0154 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0154 0.0167
Schistosoma mansoni ferritin light chain 0.0008 0.0027 0.0027
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0154 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0154 0.0177
Brugia malayi hypothetical protein 0.0035 0.2178 0.2503
Entamoeba histolytica hypothetical protein 0.0035 0.2178 0.5
Schistosoma mansoni ferritin 0.0008 0.0027 0.0027
Schistosoma mansoni ferritin 0.0008 0.0027 0.0027
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0154 0.0154
Echinococcus granulosus expressed protein 0.0008 0.0027 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0154 0.0177
Brugia malayi steroid hormone receptor 0.001 0.0154 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0154 0.0154
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0154 0.0154
Schistosoma mansoni ferritin light chain 0.0008 0.0027 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0154 0.0177
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0154 0.0167
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0027 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Entamoeba histolytica hypothetical protein 0.0035 0.2178 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0154 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0154 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0133 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0154 0.0167
Schistosoma mansoni ferritin 0.0008 0.0027 0.0027
Schistosoma mansoni apoferritin-2 0.0008 0.0027 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0154 0.0177
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0027 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0154 0.0154
Trypanosoma brucei RNA helicase, putative 0.0103 0.7652 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.921 0.921
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0154 0.0167
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0.0027 0.5
Trichomonas vaginalis ferritin, putative 0.0008 0.0027 0.5
Schistosoma mansoni ferritin 0.0008 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0154 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0154 0.0177
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0027 0.5
Schistosoma mansoni coup transcription factor 0.001 0.0154 0.0154
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0154 0.0154
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0154 0.0154
Brugia malayi nuclear hormone receptor 0.001 0.0154 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0154 0.0177
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.0027 0.5
Schistosoma mansoni nuclear hormone receptor 0.001 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0154 0.0177
Brugia malayi nuclear receptor NHR-88 0.001 0.0154 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0177
Echinococcus granulosus ferritin 0.0008 0.0027 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.8701 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0154 0.0167

Activities

No activities found for this compound.

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

No literature references available for this target.

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